(E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide

C18H23N5O — CID 122324470

IUPAC(E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide
SMILESCCNc1cc(C)nc(NCCNC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C18H23N5O/c1-3-19-16-13-14(2)22-18(23-16)21-12-11-20-17(24)10-9-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,24)(H2,19,21,22,23)/b10-9+
InChIKeyUWYXAFGNVYZXIK-MDZDMXLPSA-N
MW325.42 g/mol
LogP2.46
Rot. Bonds8

About (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide

(E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide (PubChem CID 122324470) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide
PubChem CID122324470
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide
SMILESCCNc1cc(C)nc(NCCNC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C18H23N5O/c1-3-19-16-13-14(2)22-18(23-16)21-12-11-20-17(24)10-9-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,24)(H2,19,21,22,23)/b10-9+
InChIKeyUWYXAFGNVYZXIK-MDZDMXLPSA-N
XLogP2.46
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]prop-2-enamide
CID 122325502
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide
CID 122324495
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 122324616
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122324634
(E)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-phenylethenesulfonamide
CID 122325531
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 56700174
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472
4-ethyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 70703936
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 122324645

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide (CID 122324470) is (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide is CCNc1cc(C)nc(NCCNC(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide?
The InChIKey is UWYXAFGNVYZXIK-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-19-16-13-14(2)22-18(23-16)21-12-11-20-17(24)10-9-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,24)(H2,19,21,22,23)/b10-9+.
What are the key properties of (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide has a molecular weight of 325.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 122324470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).